(2S)-2-[2-(6,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(6,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-keto-6,7-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C19H22NO7S- MolecularWeight: 408.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C19H23NO7S/c1-10-11-7-15(25-2)16(26-3)9-14(11)27-19(24)12(10)8-17(21)20-13(18(22)23)5-6-28-4/h7,9,13H,5-6,8H2,1-4H3,(H,20,21)(H,22,23)/p-1/t13-/m0/s1